Registration Dossier
Registration Dossier
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EC number: 284-854-1 | CAS number: 84988-66-9 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Lawsonia inermis, Lythraceae.
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Calculated from laboratory results with info about water- and fat solubility
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - Principle of test:
Gas chromatography and mass spectrometry methods to determine content of Monosaccarides,
- Short description of test conditions:
Standard laboratory methods for extraction. Hydrolysis, Sample pre-treatment, Derivatization with heating and stirring.
the study does not need to be conducted because the substance is uvcb - GLP compliance:
- not specified
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Indigofera tinctoria, ext.
- EC Number:
- 283-892-6
- EC Name:
- Indigofera tinctoria, ext.
- Cas Number:
- 84775-63-3
- Molecular formula:
- n/a
- IUPAC Name:
- Indigofera tinctoria, ext.
- Test material form:
- solid: particulate/powder
- Details on test material:
- Batch number: OIG/17//I/1
Constituent 1
- Specific details on test material used for the study:
- Lawsonia inermis leaf powder (Henna), CAS: 84988-66-9, UVCB substance
Study design
- Analytical method:
- gas chromatography
- mass spectrometry
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- ca. -0.79
- Remarks on result:
- other: calculated experimental log p
- Details on results:
- 8 % of Indigofera tinctoria leaf powder contained compounds that were water and fat soluble, the partition coefficient is calculated from this fraction. 92% of Indigofera tinctoria leaf powder remained insoluble.
Applicant's summary and conclusion
- Conclusions:
- Henna powder contains 5,75 % monosaccharides with average estimated LogP of -2,544
Henna powder contains 0,92 % substances with average estimated LogP of 2,9942
log P exp henna powder = log 0,92/5,75= -0,79 - Executive summary:
Carbohydrate extracted from Henna powder Carbohydrate Amount
mg/g% Est.
logPOWArabinose 1,1 0,11 -3,02 Xylose 4,7 0,47 -2,3 Mannose 3,2 0,32 -2,6 Galactose 1,5 0,15 -2,4 Glucose 47 4,7 -2,4 57,5 5,75 -2,544 Volatile extractables in pentane of Henna powder, mg/kg Name Amount
mg/kg% Est.
log pow2,2-dimethylbutane 55 0,0055 3,51 2-methyl-2-propenal 33 0,0033 0,7 1-pentene 679 0,0679 2,82 butanal 20 0,002 0,9 3-methylpentane 56 0,0056 3,2 hexane 3426 0,3426 3,764 methylcyclopentene 85 0,0085 1,8 2.2-dimethoxypropane 1885 0,1885 0,6 methyl 1-methyl-2-propenyl ether 49 0,0049 1,7 cyclohexane 192 0,0192 3,4 2-pentanone 43 0,0043 0,91 2-pentanol 71 0,0071 1,18 2.2.3.3-tetramethylbutane 276 0,0276 3,7 methylcyclohexane 74 0,0074 3,6 acetic acid methyl ester 19 0,0019 0,7 toluene 260 0,026 2,73 hexanal 31 0,0031 1,78 N-methylacetamide 177 0,0177 -1,1 4-methyl-3-penten-2-one 42 0,0042 1,4 2-butanone, MEK 102 0,0102 0,29 isobutyl pentanoic acid ester 176 0,0176 2,8 2-heptenal 28 0,0028 2,09 4-ethyl-1-hexene 32 0,0032 3,7 decane 55 0,0055 5,802 4-oxo-pentanoic acid 49 0,0049 -0,5 3-metyl-3-buten-2-one 27 0,0027 0,9 2-ethyl-5-methyltiophene 35 0,0035 2,8 1H-pyrrole-2,5-dione, 3-ethyl-4-methyl- 65 0,0065 1,05 2.4-decadienal 29 0,0029 3,419 ethanone, 1-(3,4-dimethoxyphenyl)- 31 0,0031 1,901 alpha-terpinene 237 0,0237 2,8 2,6,10,14-tetramethyl hexadecane 30 0,003 9,87 dihydroactinidiolide, cas: 015356-74-8 41 0,0041 2,57 tetradecanoic acid 53 0,0053 6,1 6,10,14-trimethyl. 2-pentadecanone 80 0,008 6,9 neophytadiene 143 0,0143 8,12 neophytadiene isomer 71 0,0071 7,168 hexadecanoic acid methyl ester 423 0,0423 1,4 9-tricosene 42 0,0042 10,3 9222 0,9222 2,99420513 Henna powder contains 5,75 % monosaccharides with average estimated LogP of -2,544 Henna powder contains 0,92 % substances with average estimated LogP of 2,9942 log P exp henna powder = log 0,92/5,75= -0,79
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